N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide

C15H22N2O3S — CID 111430825

IUPACN-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
SMILESO=C(CC1(O)CCCC1)NCCCNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-13(11-15(20)6-1-2-7-15)16-8-4-9-17-14(19)12-5-3-10-21-12/h3,5,10,20H,1-2,4,6-9,11H2,(H,16,18)(H,17,19)
InChIKeyBZUQAFNXCRIBNJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.68
Rot. Bonds7

About N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide

N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide (PubChem CID 111430825) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
PubChem CID111430825
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
SMILESO=C(CC1(O)CCCC1)NCCCNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-13(11-15(20)6-1-2-7-15)16-8-4-9-17-14(19)12-5-3-10-21-12/h3,5,10,20H,1-2,4,6-9,11H2,(H,16,18)(H,17,19)
InChIKeyBZUQAFNXCRIBNJ-UHFFFAOYSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
CID 111538436
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[4-oxo-4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)butyl]thiophene-2-carboxamide
CID 42280483
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
CID 79844638
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
CID 60610285
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide (CID 111430825) is N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide is O=C(CC1(O)CCCC1)NCCCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide?
The InChIKey is BZUQAFNXCRIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-13(11-15(20)6-1-2-7-15)16-8-4-9-17-14(19)12-5-3-10-21-12/h3,5,10,20H,1-2,4,6-9,11H2,(H,16,18)(H,17,19).
What are the key properties of N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide?
N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 111430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).